Information card for entry 4510648

Structure parameters

• Chemical name: 3,4-diamino-5-(3,4-diamino-1,2,4-triazolium-5-yl)- 1,2,4-triazolium dichloride
• Formula: C4 H10 Cl2 N10
• Calculated formula: C4 H10 Cl2 N10
• Title of publication: Short π-Stacking in N-Rich Ionic Aromatic Compounds
• Authors of publication: Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 3255
• a: 13.305 ± 0.006 Å
• b: 6.499 ± 0.003 Å
• c: 11.757 ± 0.005 Å
• α: 90°
• β: 101.85 ± 0.03°
• γ: 90°
• Cell volume: 995 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No